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Information card for entry 4126393
Preview
| Coordinates | 4126393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Cl2 Cu2 N10 O10 |
|---|---|
| Calculated formula | C36 H36 Cl1.9988 Cu2 N10 O9.9952 |
| Title of publication | Copper(I)/NO(g) Reductive Coupling Producing a trans-Hyponitrite Bridged Dicopper(II) Complex: Redox Reversal Giving Copper(I)/NO(g) Disproportionation. |
| Authors of publication | Wijeratne, Gayan B.; Hematian, Shabnam; Siegler, Maxime A.; Karlin, Kenneth D. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 24.2966 ± 0.0002 Å |
| b | 24.2966 ± 0.0002 Å |
| c | 18.34987 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9381.12 ± 0.15 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200846 (current) | 2017-09-14 | cif/ Adding structures of 4126393 via cif-deposit CGI script. |
4126393.cif |
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